SCHEMBL4026155

SCHEMBL4026155

CCc1ccc(C2CCc3nc(C(=O)O)cn3C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
STAT1 P42224 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRA1A P35348 1/20 0.39
S1PR1 P21453 2/20 0.38
S1PR5 Q9H228 1/20 0.38
PROKR1 Q8TCW9 2/20 0.36
ALDH1A1 P00352 3/20 0.36
RIPK1 Q13546 1/20 0.36
F2R P25116 5/20 0.35
SRD5A1 P18405 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4029675 0.86 ADRA1A (0.41) NPC1MAPTRAB9ASMN1; SMN2ADRA1A
SCHEMBL3665945 0.85 PROKR1 (0.44) NPC1MAPTSTAT1RAB9ASMN1; SMN2
SCHEMBL3664098 0.84 ADRA1A (0.54) NPC1MAPTRAB9ASMN1; SMN2ADRA1A
SCHEMBL3664232 0.84 HDAC2 (0.44) NPC1MAPTRAB9ASMN1; SMN2ADRA1A
Hydrochloric Acid SCHEMBL4090130 0.83 ADRA1A (0.52) NPC1MAPTRAB9ASMN1; SMN2ADRA1A
SCHEMBL3665381 0.83 ADRA1A (0.44) NPC1MAPTRAB9ASMN1; SMN2ADRA1A
SCHEMBL3665034 0.82 HIF1A (0.44) NPC1MAPTSTAT1RAB9ASMN1; SMN2
SCHEMBL3663013 0.80 MRGPRX4 (0.47) NPC1RAB9AADRA1AS1PR5
SCHEMBL3665949 0.80 ADRA1A (0.43) NPC1RAB9ASMN1; SMN2ADRA1AALDH1A1
SCHEMBL21033483 0.79 GABRA2 (0.46) NPC1MAPTRAB9ASMN1; SMN2ADRA1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288424-B2 Substituted tetrahydroimidazopyridine compounds and the use thereof in the treatment of pain and other conditions GRUENENTHAL GMBH (DE) 2012-10-16 US disclosed
EP-2235013-B1 SUBSTITUTED TETRAHYDROIMIDAZOPYRIDINE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICALS GRUENENTHAL GMBH (DE) 2012-08-01 EP disclosed
EP-2083009-A1 Substituted tetrahydroimidazopyridine compounds and their use in medicine Grünenthal GmbH (DE) 2009-07-29 EP disclosed
US-20090186902-A1 Substituted Tetrahydroimidazopyridine Compounds and the Use Thereof in the Treatment of Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-07-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090186902-A1 Substituted Tetrahydroimidazopyridine Compounds and the Use Thereof in the Treatment of Pain and Other Conditions HRH4, TRPV1, QDPR NPC1 3247/4885MAPT 374/4885STAT1 4691/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.